title: Generalized dephasing relation for fidelity and application as an efficient propagator.
abstract: The dephasing relation (DR), a linearization of semiclassical fidelity, is generalized to include the overlap of "off-diagonal" elements. The accuracy of the formulation is tested in integrable and chaotic systems and its scaling with dimensionality is studied in a Caldeira-Leggett model with many degrees of freedom. It is shown that the DR is often in very good agreement with numerically analytic quantum results and frequently outperforms an alternative semiclassical treatment. Most importantly, since there is no computationally expensive prefactor, and Monte Carlo Metropolis sampling is used to facilitate the calculation, the DR is found to scale remarkably well with increasing dimension. We further demonstrate that a propagator based on the DR can include more quantum coherence and outperform other popular linearized semiclassical methods, such as forward-backward semiclassical dynamics (FBSD) and the linearized semiclassical initial value representation (LSC-IVR).
authors.affiliation: Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA.
authors.forename: Lucas
authors.initials: L
authors.lastname: Kocia
authors.forename: Eric J
authors.initials: EJ
authors.lastname: Heller